SCHEMBL7938623

SCHEMBL7938623

O=C1CC2N(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3c4ccccc4CC23C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.40
MMP3 P08254 2/20 0.40
PSEN1 P49768 12/20 0.38
PSEN2 P49810 12/20 0.38
APH1B Q8WW43 12/20 0.38
NCSTN Q92542 12/20 0.38
APH1A Q96BI3 12/20 0.38
PSENEN Q9NZ42 12/20 0.38
CYP3A4 P08684 1/20 0.36
HTR6 P50406 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7935781 0.76 PSEN1 (0.37) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL2170105 0.73 PSEN1 (0.49) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL7938296 0.73 PSEN1 (0.39) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL13080721 0.71 PSEN1 (0.46) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL3155185 0.71 PSEN1 (0.46) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL13080724 0.63 PSEN1 (0.45) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL2358183 0.63 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3137081 0.63 PSEN1 (0.45) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL2219745 0.62 ACHE (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2183303 0.62 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed